-ISIS- 10201511232D 21 22 0 0 0 0 0 0 0 0999 V2000 0.7375 -6.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7375 -7.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5375 -7.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3375 -7.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3375 -6.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5375 -5.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -5.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -8.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9208 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9208 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -4.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 8 1 1 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 0 0 0 M END > CFN99180 > Rosin > 85026-55-7 > 98% > C15H20O6 > 296.32 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rosin-CFN99180.html $$$$ -ISIS- 10201511232D 30 32 0 0 0 0 0 0 0 0999 V2000 5.0208 -7.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0208 -8.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8208 -8.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6167 -8.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6167 -7.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8208 -6.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -6.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -9.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8083 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4042 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4042 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -7.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -6.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5333 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -5.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1708 -6.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7875 -7.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5958 -7.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -4.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -4.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 8 1 1 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 22 1 0 0 0 0 26 27 1 6 0 0 0 24 28 1 6 0 0 0 25 29 1 1 0 0 0 28 30 1 0 0 0 0 M END > CFN99178 > Rosarin > 84954-93-8 > 98% > C20H28O10 > 428.43 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rosarin-CFN99178.html $$$$ -ISIS- 10201511232D 32 34 0 0 0 0 0 0 0 0999 V2000 3.2458 -7.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2458 -7.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0417 -8.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8292 -7.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8292 -7.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0417 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -9.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -7.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8750 -5.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -5.2292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7083 -5.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7083 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0833 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4958 -7.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -5.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -7.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -9.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 8 1 1 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 8 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 20 22 1 6 0 0 0 19 23 1 1 0 0 0 21 24 1 6 0 0 0 14 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 14 1 0 0 0 0 27 30 1 0 0 0 0 26 31 1 0 0 0 0 18 32 1 6 0 0 0 M END > CFN90642 > Forsythoside E > 93675-88-8 > 98% > C20H30O12 > 462.44 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Forsythoside-E-CFN90642.html $$$$ -ISIS- 10201511232D 30 32 0 0 0 0 0 0 0 0999 V2000 5.0208 -7.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0208 -8.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8208 -8.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6167 -8.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6167 -7.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8208 -6.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -6.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -9.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -8.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8083 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4042 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4042 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -7.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -6.6333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6292 -5.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -5.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0333 -6.6333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8292 -7.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2375 -7.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -8.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 1 8 1 1 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 M END > CFN99179 > Rosavin > 84954-92-7 > 98% > C20H28O10 > 428.43 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rosavin-CFN99179.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 6.7750 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3333 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3708 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -5.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -5.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2167 -5.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 -5.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6958 -6.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2167 -6.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7333 -6.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2167 -7.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -5.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -5.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1417 -5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -4.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1042 -5.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1042 -5.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6250 -5.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5875 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -6.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -5.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 2 10 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 13 10 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 1 0 0 0 15 20 1 1 0 0 0 18 21 1 6 0 0 0 16 22 1 6 0 0 0 20 23 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 27 30 1 1 0 0 0 29 31 1 6 0 0 0 28 32 1 6 0 0 0 26 33 1 6 0 0 0 M END > CFN99437 > Eugenol rutinoside > 138772-01-7 > 98% > C22H32O11 > 472.5 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Eugenol-rutinoside-CFN99437.html $$$$ -ISIS- 10201511232D 24 25 0 0 0 0 0 0 0 0999 V2000 3.3458 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -4.4542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7875 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -4.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2667 -5.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7875 -5.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3083 -5.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7875 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -5.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -5.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 12 1 1 0 0 0 17 19 1 1 0 0 0 15 20 1 1 0 0 0 18 21 1 6 0 0 0 16 22 1 6 0 0 0 20 23 1 0 0 0 0 11 24 1 0 0 0 0 M END > CFN98886 > Coniferin > 531-29-3 > 98% > C16H22O8 > 342.3 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Coniferin-CFN98886.html $$$$ -ISIS- 10201511232D 26 27 0 0 0 0 0 0 0 0999 V2000 5.2542 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -4.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -4.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -6.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -6.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -5.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -6.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1750 -6.6583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6958 -6.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -6.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6958 -7.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -6.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -6.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 1 11 1 0 0 0 0 3 12 1 0 0 0 0 2 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 14 13 1 1 0 0 0 18 20 1 1 0 0 0 16 21 1 1 0 0 0 19 22 1 6 0 0 0 17 23 1 6 0 0 0 21 24 1 0 0 0 0 12 25 1 0 0 0 0 11 26 1 0 0 0 0 M END > CFN99282 > Syringin > 118-34-3 > 98% > C17H24O9 > 372.4 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Syringin-CFN99282.html $$$$ -ISIS- 10201511232D 41 42 0 0 0 0 0 0 0 0999 V2000 5.2500 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -4.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6917 -5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -5.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1708 -6.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6917 -6.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -6.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6917 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -6.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -6.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4083 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -3.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -8.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -7.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 1 11 1 0 0 0 0 3 12 1 0 0 0 0 2 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 14 13 1 1 0 0 0 18 20 1 1 0 0 0 16 21 1 1 0 0 0 19 22 1 6 0 0 0 17 23 1 6 0 0 0 21 24 1 0 0 0 0 12 25 1 0 0 0 0 11 26 1 0 0 0 0 27 10 1 0 0 0 0 28 27 1 0 0 0 0 29 24 1 0 0 0 0 30 29 1 0 0 0 0 31 23 1 0 0 0 0 32 31 1 0 0 0 0 33 20 1 0 0 0 0 34 33 1 0 0 0 0 35 22 1 0 0 0 0 36 35 1 0 0 0 0 27 37 2 0 0 0 0 35 38 2 0 0 0 0 33 39 2 0 0 0 0 31 40 2 0 0 0 0 29 41 2 0 0 0 0 M END > CFN97483 > Syringin pentaacetate > 92233-55-1 > 98% > C27H34O14 > 582.6 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Syringin-pentaacetate-CFN97483.html $$$$ -ISIS- 10201511232D 27 28 0 0 0 0 0 0 0 0999 V2000 7.1917 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0833 -5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -5.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -7.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -6.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -7.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8542 -6.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -7.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0750 -8.1667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8542 -8.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6333 -8.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8542 -9.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -6.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -8.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -8.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -7.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0833 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8583 -5.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 1 10 1 0 0 0 0 3 11 1 0 0 0 0 2 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 12 1 1 0 0 0 17 19 1 1 0 0 0 15 20 1 1 0 0 0 18 21 1 6 0 0 0 16 22 1 6 0 0 0 20 23 1 0 0 0 0 11 24 1 0 0 0 0 10 25 1 0 0 0 0 9 26 2 0 0 0 0 9 27 1 0 0 0 0 M END > CFN99648 > Sinapaldehyde glucoside > 154461-65-1 > 98% > C17H22O9 > 370.4 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Sinapaldehyde-glucoside-CFN99648.html $$$$ -ISIS- 10201511232D 46 49 0 0 0 0 0 0 0 0999 V2000 4.8708 -5.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8708 -5.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6208 -6.4208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3708 -5.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3708 -5.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6208 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -7.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -7.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1292 -7.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -7.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3792 -8.5833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1292 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8708 -8.5833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6292 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -9.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3583 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3583 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 2 9 1 6 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 1 0 0 0 3 21 1 1 0 0 0 22 9 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 20 26 1 0 0 0 0 22 27 2 0 0 0 0 25 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 25 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 35 21 1 1 0 0 0 38 41 1 1 0 0 0 40 42 1 6 0 0 0 39 43 1 6 0 0 0 37 44 1 6 0 0 0 19 45 1 0 0 0 0 18 46 1 0 0 0 0 M END > CFN92846 > Brachynoside > 145898-87-9 > 98% > C31H40O15 > 652.7 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Brachynoside-CFN92846.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 7.0250 -5.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0250 -5.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7750 -6.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5208 -5.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5208 -5.1083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7750 -4.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2708 -4.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2708 -6.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -6.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0208 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7667 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5167 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5167 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2625 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0125 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0125 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2625 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7625 -6.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7625 -4.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -7.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -3.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -5.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -7.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -7.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2792 -7.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -7.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5292 -8.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2792 -8.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0250 -8.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7833 -8.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -8.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -9.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 2 9 1 6 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 1 0 0 0 3 21 1 1 0 0 0 22 9 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 20 26 1 0 0 0 0 22 27 2 0 0 0 0 25 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 25 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 35 21 1 1 0 0 0 38 41 1 1 0 0 0 40 42 1 6 0 0 0 39 43 1 6 0 0 0 37 44 1 6 0 0 0 M END > CFN97048 > Acteoside > 61276-17-3 > 98% > C29H36O15 > 624.6 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Acteoside-CFN97048.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 4.4250 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4250 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2208 -5.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0167 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0167 -4.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2208 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6333 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8333 -7.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6333 -8.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4250 -7.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6333 -9.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 18 1 1 0 0 0 27 29 1 6 0 0 0 25 30 1 1 0 0 0 26 28 1 6 0 0 0 24 31 1 6 0 0 0 32 19 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 2 0 0 0 0 33 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 39 44 1 0 0 0 0 M END > CFN97049 > Isoacteoside > 61303-13-7 > 98% > C29H36O15 > 624.6 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Isoacteoside-CFN97049.html $$$$ -ISIS- 10201511232D 46 49 0 0 0 0 0 0 0 0999 V2000 4.6750 -3.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -5.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2333 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -3.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4708 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8958 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1167 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8958 -7.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -6.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -8.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 5 7 1 1 0 0 0 3 19 1 1 0 0 0 1 20 1 1 0 0 0 4 21 1 6 0 0 0 2 22 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 29 22 1 0 0 0 0 30 29 1 0 0 0 0 31 30 2 0 0 0 0 32 31 1 0 0 0 0 20 33 1 0 0 0 0 29 34 2 0 0 0 0 32 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 32 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 23 19 1 1 0 0 0 28 44 1 6 0 0 0 26 45 1 1 0 0 0 27 43 1 6 0 0 0 25 46 1 6 0 0 0 M END > CFN97159 > Martynoside > 67884-12-2 > 98% > C31H40O15 > 652.7 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Martynoside-CFN97159.html $$$$ -ISIS- 10201511232D 46 49 0 0 0 0 0 0 0 0999 V2000 4.4250 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4250 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2208 -5.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0167 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0167 -4.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2208 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6333 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8333 -7.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6333 -8.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4250 -7.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6333 -9.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -8.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 18 1 1 0 0 0 27 29 1 6 0 0 0 25 30 1 1 0 0 0 26 28 1 6 0 0 0 24 31 1 6 0 0 0 32 19 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 2 0 0 0 0 33 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 39 44 1 0 0 0 0 44 45 1 0 0 0 0 16 46 1 0 0 0 0 M END > CFN97525 > Isomartynoside > 94410-22-7 > 98% > C31H40O15 > 652.7 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Isomartynoside-CFN97525.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 6.4167 -5.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4167 -6.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2250 -7.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0333 -6.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0333 -5.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2250 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -7.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6458 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0667 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8750 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8750 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0667 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6792 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6792 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -9.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -8.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -5.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -5.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9958 -4.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1917 -3.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3833 -4.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3833 -5.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1917 -5.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 21 9 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 21 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 1 33 1 1 0 0 0 33 34 1 0 0 0 0 35 34 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 38 41 1 6 0 0 0 39 42 1 1 0 0 0 36 43 1 1 0 0 0 37 44 1 1 0 0 0 M END > CFN98591 > Isoforsythiaside > 1357910-26-9 > 98% > C29H36O15 > 624.59 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Isoforsythiaside-CFN98591.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 6.4167 -5.6292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4167 -6.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2250 -7.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0333 -6.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0333 -5.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2250 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -7.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6458 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0667 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8750 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8750 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0667 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6792 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6792 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -9.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -8.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -5.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -7.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0333 -8.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -9.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8375 -9.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6458 -9.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6458 -8.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8375 -10.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -7.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -9.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -9.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 3 9 1 6 0 0 0 2 10 1 6 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 21 9 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 21 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 1 33 1 1 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 35 8 1 1 0 0 0 38 41 1 1 0 0 0 40 42 1 6 0 0 0 39 43 1 6 0 0 0 37 44 1 6 0 0 0 M END > CFN99232 > Magnoloside A > 113557-95-2 > 98% > C29H36O15 > 624.6 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Magnoloside-A-CFN99232.html $$$$ -ISIS- 10201511232D 67 70 0 0 0 0 0 0 0 0999 V2000 7.3542 -6.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3542 -7.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0833 -7.5833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8125 -7.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8125 -6.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0833 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 -7.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -7.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2750 -6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7333 -6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7333 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4667 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1958 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1958 -6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4667 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9250 -7.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9250 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -6.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -7.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -8.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -8.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6250 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -8.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8958 -9.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6250 -10.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3542 -9.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1625 -10.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -10.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -10.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -8.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6542 -6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6542 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -9.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2750 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -9.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -11.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -10.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -10.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -8.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -12.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -8.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2750 -8.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 2 9 1 6 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 1 0 0 0 3 21 1 1 0 0 0 22 9 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 20 26 1 0 0 0 0 22 27 2 0 0 0 0 25 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 25 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 35 21 1 1 0 0 0 38 41 1 1 0 0 0 40 42 1 6 0 0 0 39 43 1 6 0 0 0 37 44 1 6 0 0 0 19 45 1 0 0 0 0 18 46 1 0 0 0 0 47 33 1 0 0 0 0 48 47 1 0 0 0 0 49 34 1 0 0 0 0 50 49 1 0 0 0 0 51 26 1 0 0 0 0 52 51 1 0 0 0 0 53 8 1 0 0 0 0 54 53 1 0 0 0 0 55 42 1 0 0 0 0 56 55 1 0 0 0 0 57 41 1 0 0 0 0 58 57 1 0 0 0 0 59 43 1 0 0 0 0 60 59 1 0 0 0 0 51 61 2 0 0 0 0 47 62 2 0 0 0 0 49 63 2 0 0 0 0 57 64 2 0 0 0 0 59 65 2 0 0 0 0 55 66 2 0 0 0 0 53 67 2 0 0 0 0 M END > CFN99490 > Brachynoside heptaacetate > 144765-80-0 > 98% > C45H54O22 > 946.9 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Brachynoside-heptaacetate-CFN99490.html $$$$ -ISIS- 10201511232D 45 48 0 0 0 0 0 0 0 0999 V2000 7.0417 -4.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7917 -6.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5417 -4.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -7.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5417 -8.8125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -9.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0417 -8.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -7.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -10.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 19 32 1 0 0 0 0 28 33 2 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 31 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 22 18 1 1 0 0 0 26 41 1 1 0 0 0 24 42 1 1 0 0 0 27 43 1 6 0 0 0 25 44 1 6 0 0 0 42 45 1 0 0 0 0 M END > CFN99522 > Plantamajoside > 104777-68-6 > 98% > C29H36O16 > 640.6 > White powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Plantamajoside-CFN99522.html $$$$ -ISIS- 10201511232D 52 55 0 0 0 0 0 0 0 0999 V2000 7.0417 -4.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7917 -6.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5417 -4.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -7.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5417 -8.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -9.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0417 -8.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -7.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -10.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 -9.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -10.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -11.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -10.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 19 32 1 0 0 0 0 28 33 2 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 31 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 22 18 1 1 0 0 0 26 41 1 6 0 0 0 24 42 1 6 0 0 0 27 43 1 6 0 0 0 25 44 1 1 0 0 0 40 45 1 0 0 0 0 16 46 1 0 0 0 0 43 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 41 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 M END > CFN99691 > Clerodenoside A > 164022-75-7 > 98% > C35H44O17 > 736.7 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Clerodenoside-A-CFN99691.html $$$$ -ISIS- 10201511232D 47 50 0 0 0 0 0 0 0 0999 V2000 7.0417 -4.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7917 -6.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5417 -4.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -7.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5417 -8.8125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -9.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0417 -8.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -7.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -10.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 19 32 1 0 0 0 0 28 33 2 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 31 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 22 18 1 1 0 0 0 26 41 1 1 0 0 0 24 42 1 1 0 0 0 27 43 1 6 0 0 0 25 44 1 6 0 0 0 42 45 1 0 0 0 0 40 46 1 0 0 0 0 16 47 1 0 0 0 0 M END > CFN99697 > Hemiphroside A > 165338-27-2 > 98% > C31H40O16 > 668.7 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Hemiphroside-A-CFN99697.html $$$$ -ISIS- 10201511232D 48 51 0 0 0 0 0 0 0 0999 V2000 7.0417 -4.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7917 -6.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5417 -4.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -7.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -7.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5417 -8.8125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -9.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0417 -8.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -7.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -10.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -7.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -7.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -9.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 19 32 1 0 0 0 0 28 33 2 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 31 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 22 18 1 1 0 0 0 26 41 1 1 0 0 0 24 42 1 1 0 0 0 27 43 1 6 0 0 0 25 44 1 6 0 0 0 42 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 M END > CFN99698 > Hemiphroside B > 165338-28-3 > 98% > C31H38O17 > 682.6 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Hemiphroside-B-CFN99698.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 7.0417 -4.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7917 -6.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5417 -5.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5417 -4.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -7.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -7.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -3.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5417 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -1.9583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0417 -2.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0417 -3.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7917 -3.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7917 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 1 18 1 1 0 0 0 4 19 1 6 0 0 0 2 20 1 6 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 0 0 0 0 18 25 1 0 0 0 0 21 26 2 0 0 0 0 24 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 24 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 0 0 0 3 34 1 1 0 0 0 35 25 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 6 0 0 0 39 42 1 6 0 0 0 37 43 1 6 0 0 0 38 44 1 1 0 0 0 M END > CFN99705 > Forsythoside A > 79916-77-1 > 98% > C29H36O15 > 624.59 > White powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Forsythoside-A-CFN99705.html $$$$ -ISIS- 10201511232D 48 51 0 0 0 0 0 0 0 0999 V2000 4.3250 -5.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3250 -6.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8417 -6.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3625 -6.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3625 -5.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8417 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -7.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -6.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -6.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -6.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -5.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -7.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -5.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0042 -5.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1875 -4.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7042 -4.4167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2167 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -6.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -5.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -3.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -4.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -5.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -7.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 6 0 0 0 1 8 1 1 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 28 7 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 28 33 1 6 0 0 0 33 34 1 0 0 0 0 29 35 1 1 0 0 0 31 36 1 1 0 0 0 36 37 1 0 0 0 0 30 38 1 6 0 0 0 35 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 41 1 0 0 0 0 44 47 1 0 0 0 0 23 48 1 0 0 0 0 M END > CFN90770 > Tenuifoliside A > 139726-35-5 > 98% > C31H38O17 > 682.6 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Tenuifoliside-A-CFN90770.html $$$$ -ISIS- 10201511232D 53 56 0 0 0 0 0 0 0 0999 V2000 3.2375 -4.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2375 -4.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9167 -5.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5958 -4.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5958 -4.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9167 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -6.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -5.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -5.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -5.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 -6.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -3.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7375 -3.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9792 -2.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3458 -2.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7083 -2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -4.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -0.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2625 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1708 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1292 -4.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -6.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -4.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5208 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 6 0 0 0 1 8 1 1 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 28 7 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 28 33 1 6 0 0 0 33 34 1 0 0 0 0 29 35 1 1 0 0 0 31 36 1 1 0 0 0 36 37 1 0 0 0 0 30 38 1 6 0 0 0 35 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 43 1 0 0 0 0 45 49 1 0 0 0 0 46 50 1 0 0 0 0 47 51 1 0 0 0 0 49 52 1 0 0 0 0 51 53 1 0 0 0 0 M END > CFN90578 > 3,6'-Disinapoyl sucrose > 139891-98-8 > 98% > C34H42O19 > 754.68 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/3-6-Disinapoyl-sucrose-CFN90578.html $$$$ -ISIS- 10201511232D 36 38 0 0 0 0 0 0 0 0999 V2000 3.0625 -4.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8208 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3250 -5.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9917 -4.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2250 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -6.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -6.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -6.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 -6.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 -6.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8625 -5.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8625 -7.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -7.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2625 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -9.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0667 -9.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8750 -9.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8750 -8.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6792 -9.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -9.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -7.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -10.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -10.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 6 0 0 0 1 7 1 6 0 0 0 3 8 1 6 0 0 0 3 9 1 1 0 0 0 5 10 1 1 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 20 25 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 30 32 1 1 0 0 0 28 33 1 1 0 0 0 31 34 1 6 0 0 0 29 35 1 6 0 0 0 33 36 1 0 0 0 0 M END > CFN90645 > Sibiricose A5 > 107912-97-0 > 98% > C22H30O14 > 518.5 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Sibiricose-A5-CFN90645.html $$$$ -ISIS- 10201511232D 38 40 0 0 0 0 0 0 0 0999 V2000 3.0625 -4.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8208 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3250 -5.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9917 -4.7333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2250 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -4.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -6.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -6.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -6.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -4.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 -6.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 -6.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8625 -5.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8625 -7.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -7.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2625 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -9.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0667 -9.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8750 -9.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8750 -8.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6792 -9.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -9.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -7.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -10.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -10.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -8.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 -8.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 6 0 0 0 1 7 1 6 0 0 0 3 8 1 6 0 0 0 3 9 1 1 0 0 0 5 10 1 1 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 20 25 1 0 0 0 0 26 8 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 30 32 1 1 0 0 0 28 33 1 1 0 0 0 31 34 1 6 0 0 0 29 35 1 6 0 0 0 33 36 1 0 0 0 0 19 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > CFN90646 > Sibiricose A6 > 241125-75-7 > 98% > C23H32O15 > 548.5 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Sibiricose-A6-CFN90646.html $$$$ -ISIS- 10201511232D 31 33 0 0 0 0 0 0 0 0999 V2000 5.7708 -5.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7708 -6.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2917 -6.7292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8083 -6.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8083 -5.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -5.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -5.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -4.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -5.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -4.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -4.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -5.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 1 0 0 0 5 8 1 1 0 0 0 3 9 1 1 0 0 0 2 10 1 6 0 0 0 4 11 1 6 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 8 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 19 22 1 0 0 0 0 23 14 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 26 31 1 0 0 0 0 M END > CFN99427 > 6-O-Caffeoylarbutin > 136172-60-6 > 98% > C21H22O10 > 434.4 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-Caffeoylarbutin-CFN99427.html $$$$ -ISIS- 10201511232D 34 36 0 0 0 0 0 0 0 0999 V2000 4.4250 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4250 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2208 -5.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0167 -5.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0167 -4.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2208 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5875 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -6.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -5.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 19 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 23 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 M END > CFN90647 > Calceolarioside B > 105471-98-5 > 98% > C23H26O11 > 478.45 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Calceolarioside-B-CFN90647.html $$$$ -ISIS- 10201511232D 34 36 0 0 0 0 0 0 0 0999 V2000 4.8708 -5.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8708 -5.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6208 -6.4208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3708 -5.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3708 -5.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6208 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6083 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -7.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 1 0 0 0 4 8 1 6 0 0 0 2 9 1 6 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 1 0 0 0 3 21 1 1 0 0 0 22 9 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 20 26 1 0 0 0 0 22 27 2 0 0 0 0 25 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 25 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 M END > CFN98522 > Calceolarioside A > 84744-28-5 > 98% > C23H26O11 > 478.44 > White powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Calceolarioside-A-CFN98522.html $$$$ -ISIS- 10201511232D 53 57 0 0 0 0 0 0 0 0999 V2000 4.6750 -3.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -5.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2333 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -3.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8958 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1167 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8958 -7.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -6.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -8.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4958 -2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -0.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7708 -1.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5208 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 19 32 1 0 0 0 0 28 33 2 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 31 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 22 18 1 1 0 0 0 27 42 1 6 0 0 0 25 43 1 1 0 0 0 26 41 1 6 0 0 0 24 44 1 6 0 0 0 45 32 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 45 1 0 0 0 0 48 50 1 1 0 0 0 48 51 1 6 0 0 0 49 52 1 6 0 0 0 50 53 1 0 0 0 0 M END > CFN99715 > Forsythoside B > 81525-13-5 > 98% > C34H44O19 > 756.70 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Forsythoside-B-CFN99715.html $$$$ -ISIS- 10201511232D 54 58 0 0 0 0 0 0 0 0999 V2000 4.6750 -3.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -5.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2333 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -3.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8958 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1167 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8958 -7.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -6.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -8.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -1.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 -0.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -1.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 19 32 1 0 0 0 0 28 33 2 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 31 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 22 18 1 1 0 0 0 27 42 1 6 0 0 0 25 43 1 1 0 0 0 26 41 1 6 0 0 0 24 44 1 6 0 0 0 45 32 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 49 51 1 6 0 0 0 48 52 1 1 0 0 0 50 53 1 6 0 0 0 47 54 1 6 0 0 0 M END > CFN99714 > Poliumoside > 94079-81-9 > 98% > C35H46O19 > 770.73 > Yellow powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Poliumoside-CFN99714.html $$$$ -ISIS- 10201511232D 55 59 0 0 0 0 0 0 0 0999 V2000 4.8583 -6.3083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8583 -7.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6375 -7.6583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4167 -7.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4167 -6.3083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6375 -5.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -5.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -7.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -7.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -7.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -6.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -7.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -5.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -8.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -7.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -7.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -9.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0792 -8.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -9.0083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3000 -9.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8583 -9.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3000 -7.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -7.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -7.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -7.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -6.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -7.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -7.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -8.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -9.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -8.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -9.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -7.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -11.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -10.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -10.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -8.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.5083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6375 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -4.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4167 -3.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6375 -3.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8583 -3.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6375 -2.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -3.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -3.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -4.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -4.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 19 32 1 0 0 0 0 28 33 2 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 31 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 22 18 1 1 0 0 0 27 42 1 6 0 0 0 25 43 1 1 0 0 0 26 41 1 6 0 0 0 24 44 1 6 0 0 0 45 32 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 49 51 1 1 0 0 0 48 52 1 6 0 0 0 50 53 1 6 0 0 0 47 54 1 1 0 0 0 54 55 1 0 0 0 0 M END > CFN98105 > Echinacoside > 82854-37-3 > 98% > C35H46O20 > 786.72 > Powder > Polyphenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Echinacoside-CFN98105.html $$$$ -ISIS- 10201511232D 57 61 0 0 0 0 0 0 0 0999 V2000 3.8292 -5.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8292 -6.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5750 -6.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3250 -6.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3250 -5.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5750 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -4.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8125 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8125 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -4.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -4.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -7.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -7.9792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0792 -7.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 -7.9792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3333 -8.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0792 -9.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8292 -8.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3333 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3333 -5.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 -7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -7.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -10.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -9.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -9.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -3.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5750 -4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -3.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3250 -2.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5750 -2.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8292 -2.7958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5750 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -3.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3083 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 19 32 1 0 0 0 0 28 33 2 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 31 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 22 18 1 1 0 0 0 27 42 1 6 0 0 0 25 43 1 1 0 0 0 26 41 1 6 0 0 0 24 44 1 6 0 0 0 45 32 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 49 51 1 1 0 0 0 48 52 1 6 0 0 0 50 53 1 6 0 0 0 47 54 1 1 0 0 0 54 55 1 0 0 0 0 40 56 1 0 0 0 0 16 57 1 0 0 0 0 M END > CFN90729 > Jionoside B1 > 120406-37-3 > 98% > C37H50O20 > 814.78 > Powder > Polyphenols > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Jionoside-B1-CFN90729.html $$$$ -ISIS- 10201511232D 58 62 0 0 0 0 0 0 0 0999 V2000 4.8583 -6.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8583 -7.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6375 -7.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4167 -7.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4167 -6.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6375 -5.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -5.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0958 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -7.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -5.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -7.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -7.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -9.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0792 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -9.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3000 -9.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0792 -10.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8583 -9.9708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3000 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -6.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -7.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -9.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -9.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -7.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -11.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -10.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -10.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6375 -5.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -4.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4167 -3.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6375 -3.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8583 -3.6708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6375 -2.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -3.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -3.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -4.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -9.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -9.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 5 7 1 1 0 0 0 3 18 1 1 0 0 0 1 19 1 1 0 0 0 4 20 1 6 0 0 0 2 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 19 32 1 0 0 0 0 28 33 2 0 0 0 0 31 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 31 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 22 18 1 1 0 0 0 27 42 1 6 0 0 0 25 43 1 1 0 0 0 26 41 1 6 0 0 0 24 44 1 6 0 0 0 45 32 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 49 51 1 1 0 0 0 48 52 1 6 0 0 0 50 53 1 6 0 0 0 47 54 1 1 0 0 0 54 55 1 0 0 0 0 20 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 M END > CFN90669 > Tubuloside A > 112516-05-9 > 98% > C37H48O21 > 828.76 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Tubuloside-A-CFN90669.html $$$$ -ISIS- 10201511232D 56 60 0 0 0 0 0 0 0 0999 V2000 4.6750 -3.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -5.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2333 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -3.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4708 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8958 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1167 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8958 -7.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -6.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -8.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2333 -1.1292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -0.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6750 -1.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 5 7 1 1 0 0 0 3 19 1 1 0 0 0 1 20 1 1 0 0 0 4 21 1 6 0 0 0 2 22 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 29 22 1 0 0 0 0 30 29 1 0 0 0 0 31 30 2 0 0 0 0 32 31 1 0 0 0 0 20 33 1 0 0 0 0 29 34 2 0 0 0 0 32 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 32 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 23 19 1 1 0 0 0 28 43 1 6 0 0 0 26 44 1 1 0 0 0 27 42 1 6 0 0 0 25 45 1 6 0 0 0 46 33 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 50 52 1 1 0 0 0 49 53 1 6 0 0 0 51 54 1 6 0 0 0 48 55 1 1 0 0 0 55 56 1 0 0 0 0 M END > CFN90526 > Cistanoside A > 93236-42-1 > 98% > C36H48O20 > 800.75 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cistanoside-A-CFN90526.html $$$$ -ISIS- 10201511232D 55 59 0 0 0 0 0 0 0 0999 V2000 4.6750 -3.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -5.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2333 -4.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2333 -3.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4708 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8958 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1167 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8958 -7.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6750 -7.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -6.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -4.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -8.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -2.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4542 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -1.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 -0.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6750 -1.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4542 0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 5 7 1 1 0 0 0 3 19 1 1 0 0 0 1 20 1 1 0 0 0 4 21 1 6 0 0 0 2 22 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 29 22 1 0 0 0 0 30 29 1 0 0 0 0 31 30 2 0 0 0 0 32 31 1 0 0 0 0 20 33 1 0 0 0 0 29 34 2 0 0 0 0 32 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 32 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 23 19 1 1 0 0 0 28 44 1 6 0 0 0 26 45 1 1 0 0 0 27 43 1 6 0 0 0 25 46 1 6 0 0 0 47 33 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 47 1 0 0 0 0 51 53 1 1 0 0 0 50 54 1 1 0 0 0 52 55 1 6 0 0 0 M END > CFN98149 > Angoroside C > 115909-22-3 > 98% > C36H48O19 > 784.75 > White powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Angoroside-C-CFN98149.html $$$$